CYTOCHALASIN E(36011-19-5) MS
Product NameCYTOCHALASIN E
CAS36011-19-5
Molecular FormulaC28H33NO7
Molecular Weight495.56
InChIInChI=1S/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8+,14-13+/t16-,17-,19-,20-,21-,23-,26+,27+,28+/m0/s1
InChIKey LAJXCUNOQSHRJO-ZYGJITOWSA-N
Smiles[C@H]1(CC2=CC=CC=C2)[C@@]2([H])[C@@]3(OC(=O)OC=C[C@](O)(C)C(=O)[C@@H](C)CC=C[C@@]3([H])[C@]3([H])O[C@]3(C)[C@H]2C)C(=O)N1 |t:16,26|
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MassMS-NW-9095 Cytochalasin E C28H33NO7 (Mass of molecular ion: 495)
Source Temperature: 220 °C Sample Temperature: 180 °C Direct, 75 eV
15.0 3.2 16.0 1.2 17.0 5.2 18.0 27.8 26.0 1.5 27.0 5.9 28.0 13.8 29.0 11.5 30.0 3.7 31.0 1.2 39.0 8.7 40.0 2.4 41.0 20.6 42.0 5.3 43.0 62.4 44.0 47.2 45.0 2.1 51.0 3.0 52.0 1.7 53.0 8.4 54.0 2.2 55.0 19.1 56.0 3.1 57.0 4.5 58.0 1.1 63.0 1.8 65.0 11.6 66.0 2.6 67.0 8.8 68.0 3.7 69.0 10.6 70.0 7.0 71.0 10.5 72.0 1.7 77.0 13.3 78.0 4.3 79.0 14.7 80.0 5.1 81.0 13.5 82.0 8.3 83.0 7.3 84.0 2.2 85.0 2.9 86.0 3.5 87.0 3.9 89.0 2.1 90.0 1.7 91.0 100.0 92.0 12.3 93.0 16.5 94.0 5.0 95.0 9.6 96.0 9.2 97.0 5.0 98.0 3.0 100.0 1.5 102.0 1.0 103.0 5.3 104.0 4.0 105.0 16.7 106.0 6.8 107.0 8.9 108.0 8.2 109.0 11.4 110.0 11.7 111.0 3.2 112.0 2.2 115.0 8.4 116.0 5.0 117.0 12.3 118.0 6.8 119.0 15.0 120.0 32.5 121.0 11.5 122.0 6.5 123.0 5.3 124.0 6.0 125.0 6.5 126.0 2.5 127.0 2.8 128.0 8.2 129.0 8.1 130.0 6.1 131.0 9.4 132.0 6.6 133.0 12.3 134.0 17.6 135.0 9.9 136.0 10.3 137.0 6.1 138.0 3.0 139.0 1.9 141.0 3.9 142.0 3.6 143.0 7.5 144.0 7.2 145.0 13.3 146.0 13.6 147.0 13.1 148.0 10.7 149.0 7.5 150.0 6.6 151.0 3.9 152.0 5.5 153.0 2.3 154.0 3.8 155.0 3.6 156.0 3.4 157.0 8.2 158.0 5.1 159.0 8.9 160.0 13.8 161.0 12.3 162.0 50.5 163.0 9.8 164.0 5.2 165.0 3.5 166.0 7.2 167.0 2.9 168.0 1.9 169.0 2.8 170.0 3.7 171.0 6.7 172.0 15.1 173.0 16.1 174.0 19.8 175.0 10.2 176.0 11.7 177.0 6.9 178.0 15.0 179.0 3.8 180.0 2.3 181.0 2.2 182.0 1.9 183.0 3.6 184.0 5.1 185.0 8.3 186.0 9.4 187.0 6.5 188.0 14.6 189.0 9.0 190.0 22.5 191.0 5.3 192.0 6.8 193.0 2.4 194.0 1.5 195.0 2.2 196.0 2.0 197.0 3.3 198.0 8.4 199.0 7.7 200.0 16.1 201.0 8.5 202.0 9.8 203.0 7.3 204.0 20.0 205.0 3.7 206.0 2.1 207.0 1.8 208.0 1.4 209.0 2.6 210.0 4.3 211.0 7.5 212.0 7.7 213.0 4.4 214.0 4.4 215.0 3.5 216.0 14.1 217.0 7.3 218.0 28.6 219.0 5.6 220.0 1.8 221.0 1.5 222.0 1.4 223.0 2.2 224.0 4.4 225.0 5.3 226.0 16.0 227.0 7.5 228.0 18.8 229.0 5.5 230.0 4.1 231.0 2.0 232.0 1.7 233.0 1.3 234.0 1.5 235.0 1.6 236.0 3.2 237.0 2.4 238.0 4.7 239.0 2.8 240.0 6.8 241.0 3.2 242.0 3.1 243.0 2.8 244.0 6.5 245.0 7.4 246.0 81.1 247.0 15.3 248.0 3.3 249.0 1.5 250.0 3.4 251.0 3.1 252.0 10.1 253.0 15.4 254.0 9.8 255.0 4.1 256.0 7.1 257.0 3.7 258.0 7.3 259.0 1.7 260.0 1.8 261.0 1.2 262.0 1.9 263.0 2.0 264.0 4.8 265.0 3.1 266.0 7.6 267.0 3.0 268.0 6.0 269.0 2.9 270.0 8.1 271.0 2.4 272.0 3.6 273.0 2.3 274.0 10.1 275.0 2.7 276.0 2.4 277.0 1.8 278.0 4.9 279.0 2.7 280.0 6.6 281.0 4.1 282.0 5.6 283.0 2.6 284.0 1.7 286.0 1.2 288.0 4.6 289.0 2.0 290.0 4.0 291.0 2.3 292.0 3.0 293.0 2.5 294.0 19.5 295.0 7.3 296.0 5.3 297.0 2.4 298.0 7.0 299.0 1.9 300.0 1.4 302.0 1.1 303.0 1.2 304.0 3.4 305.0 1.3 306.0 3.8 307.0 3.0 308.0 7.3 309.0 5.8 310.0 10.5 311.0 2.9 312.0 1.1 314.0 3.0 315.0 1.0 316.0 4.7 317.0 1.6 318.0 8.0 319.0 4.7 320.0 11.8 321.0 4.3 322.0 8.0 323.0 2.2 324.0 9.3 325.0 2.4 326.0 1.9 330.0 1.0 332.0 2.0 334.0 1.6 335.0 1.8 336.0 17.0 337.0 78.9 338.0 25.4 339.0 4.7 340.0 1.1 342.0 4.1 343.0 1.1 344.0 1.9 346.0 7.0 347.0 2.6 348.0 4.7 349.0 1.5 350.0 1.9 360.0 1.9 361.0 1.2 362.0 3.2 363.0 1.6 364.0 19.6 365.0 8.7 366.0 2.8 370.0 1.2 372.0 1.3 379.0 2.0 380.0 4.5 381.0 5.8 382.0 2.3 386.0 1.1 389.0 1.2 390.0 4.5 391.0 2.8 404.0 1.5 405.0 1.5 407.0 6.0 408.0 5.5 409.0 1.4 415.0 1.3 417.0 1.0 433.0 3.6 434.0 1.3 452.0 2.4 467.0 1.4 495.0 2.7
KBr disc
nujol mull
